General Information of the Compound
| Compound ID |
CP0415141
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| Compound Name |
3-carboxamido coumarin, 35
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| Structure |
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| Formula |
C15H6F4N2O3
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| Molecular Weight |
338.216
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| Canonical SMILES |
Fc1nc(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c1F
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| InChI |
InChI=1S/C15H6F4N2O3/c16-9-11(10(17)13(19)21-12(9)18)20-14(22)7-5-6-3-1-2-4-8(6)24-15(7)23/h1-5H,(H,20,21,22)
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| InChIKey |
YTDKRMHVKQGTGZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B